#------------------------------------------------------------------------------ #$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: svn://www.crystallography.net/cod/cif/2/20/49/2204999.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2204999 loop_ _publ_author_name 'Gao, Shan' 'Zhu, Zhi-Bao' 'Huo, Li-Hua' 'Ng, Seik Weng' _publ_section_title ; Poly[tetrasilver(I)-di-\m-aqua-bis[\m~8~-3-carboxylato-4- hydroxybenzenesulfonato] ; _journal_issue 2 _journal_name_full 'Acta Crystallographica, Section E' _journal_page_first m282 _journal_page_last m284 _journal_volume 61 _journal_year 2005 _chemical_formula_iupac '[Ag4 (C7 H4 O6 S)2 (H2 O)2]' _chemical_formula_moiety 'C14 H12 Ag4 O14 S2' _chemical_formula_sum 'C14 H12 Ag4 O14 S2' _chemical_formula_weight 899.94 _chemical_name_systematic ; Poly[tetrasilver(I)-di-\m-aqua-bis[\m~8~-3-carboxylato-4- hydroxybenzenesulfonato] ; _space_group_IT_number 13 _symmetry_cell_setting monoclinic _symmetry_space_group_name_Hall '-P 2yac' _symmetry_space_group_name_H-M 'P 1 2/n 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-97 _cell_angle_alpha 90.00 _cell_angle_beta 92.91(3) _cell_angle_gamma 90.00 _cell_formula_units_Z 2 _cell_length_a 7.493(2) _cell_length_b 16.237(3) _cell_length_c 8.253(2) _cell_measurement_reflns_used 9456 _cell_measurement_temperature 295(2) _cell_measurement_theta_max 27.5 _cell_measurement_theta_min 3.0 _cell_volume 1002.8(3) _computing_cell_refinement RAPID-AUTO _computing_data_collection 'RAPID-AUTO (Rigaku, 1998)' _computing_data_reduction 'CrystalStructure (Rigaku/MSC, 2002)' _computing_molecular_graphics 'ORTEPII (Johnson, 1976)' _computing_publication_material SHELXL97 _computing_structure_refinement 'SHELXL97 (Sheldrick, 1997)' _computing_structure_solution 'SHELXS97 (Sheldrick, 1997)' _diffrn_ambient_temperature 295(2) _diffrn_measured_fraction_theta_full 0.94 _diffrn_measured_fraction_theta_max 0.94 _diffrn_measurement_device_type 'Rigaku R-AXIS RAPID' _diffrn_measurement_method \w _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.016 _diffrn_reflns_av_sigmaI/netI 0.011 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_h_min -8 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_l_max 10 _diffrn_reflns_limit_l_min -10 _diffrn_reflns_number 8593 _diffrn_reflns_theta_full 27.5 _diffrn_reflns_theta_max 27.5 _diffrn_reflns_theta_min 3.0 _diffrn_standards_decay_% 0 _diffrn_standards_interval_count 0 _diffrn_standards_interval_time 0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 4.134 _exptl_absorpt_correction_T_max 0.495 _exptl_absorpt_correction_T_min 0.294 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details '(ABSCOR; Higashi, 1995)' _exptl_crystal_colour Colorless _exptl_crystal_density_diffrn 2.980 _exptl_crystal_density_method 'not measured' _exptl_crystal_description Block _exptl_crystal_F_000 856 _exptl_crystal_size_max 0.32 _exptl_crystal_size_mid 0.25 _exptl_crystal_size_min 0.17 _refine_diff_density_max 0.91 _refine_diff_density_min -1.25 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.06 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 168 _refine_ls_number_reflns 2158 _refine_ls_number_restraints 4 _refine_ls_restrained_S_all 1.06 _refine_ls_R_factor_all 0.029 _refine_ls_R_factor_gt 0.026 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w = 1/[\s^2^(Fo^2^)+(0.0367P)^2^+2.4683P] where P = (Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.066 _refine_ls_wR_factor_ref 0.068 _reflns_number_gt 2015 _reflns_number_total 2158 _reflns_threshold_expression I>2\s(I) _[local]_cod_data_source_file bt6577.cif _[local]_cod_cif_authors_sg_H-M 'P 2/n' _cod_depositor_comments ; The following automatic conversions were performed: '_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic' according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29. Automatic conversion script Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius ; _cod_database_code 2204999 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y, -z+1/2' '-x, -y, -z' 'x-1/2, -y, z-1/2' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_type_symbol Ag1 0.7500 0.49393(2) 0.7500 0.03250(10) Uani d S 1 Ag Ag2 0.7500 0.48836(3) 0.2500 0.0475(2) Uani d S 1 Ag Ag3 1.2500 0.92255(2) -0.2500 0.04020(10) Uani d S 1 Ag Ag4 1.2500 0.75147(2) -0.2500 0.03220(10) Uani d S 1 Ag S1 0.92830(10) 0.63097(5) 0.50650(10) 0.0203(2) Uani d . 1 S O1 0.7488(3) 0.6163(2) 0.5588(4) 0.0357(6) Uani d . 1 O O2 0.9751(4) 0.57670(10) 0.3742(3) 0.0292(5) Uani d . 1 O O3 1.0610(4) 0.6291(2) 0.6421(3) 0.0317(6) Uani d . 1 O O4 1.1192(4) 0.7661(2) -0.0274(3) 0.0346(6) Uani d . 1 O O5 1.1124(4) 0.9033(2) -0.0077(3) 0.0335(6) Uani d . 1 O O6 0.9917(4) 0.9681(2) 0.2517(3) 0.0370(7) Uani d D 1 O O1w 0.6103(4) 0.4246(2) 0.5116(3) 0.0329(6) Uani d D 1 O C1 1.0182(4) 0.8221(2) 0.2120(4) 0.0205(6) Uani d . 1 C C2 0.9976(4) 0.7432(2) 0.2756(4) 0.0213(6) Uani d . 1 C C3 0.9362(4) 0.7322(2) 0.4285(4) 0.0198(6) Uani d . 1 C C4 0.8915(5) 0.8001(2) 0.5229(4) 0.0256(7) Uani d . 1 C C5 0.9107(5) 0.8786(2) 0.4620(4) 0.0279(7) Uani d . 1 C C6 0.9745(5) 0.8898(2) 0.3073(4) 0.0237(6) Uani d . 1 C C7 1.0880(5) 0.8311(2) 0.0461(4) 0.0239(7) Uani d . 1 C H6o 1.019(8) 0.963(4) 0.153(3) 0.07(2) Uiso d D 1 H H1w1 0.498(2) 0.417(3) 0.506(7) 0.07(2) Uiso d D 1 H H1w2 0.663(6) 0.383(3) 0.470(10) 0.11(3) Uiso d D 1 H H2 1.0257 0.6975 0.2138 0.026 Uiso calc R 1 H H4 0.8492 0.7924 0.6258 0.031 Uiso calc R 1 H H5 0.8812 0.9240 0.5239 0.034 Uiso calc R 1 H loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ag1 0.0399(2) 0.0321(2) 0.0255(2) 0.000 0.0022(2) 0.000 Ag2 0.0474(3) 0.0303(2) 0.0622(3) 0.000 -0.0225(2) 0.000 Ag3 0.0611(3) 0.02319(19) 0.0393(2) 0.000 0.0307(2) 0.000 Ag4 0.0518(3) 0.02488(19) 0.0213(2) 0.000 0.0149(2) 0.000 S1 0.0226(4) 0.0198(4) 0.0187(4) -0.0036(3) 0.0014(3) 0.0027(3) O1 0.0270(10) 0.0390(10) 0.042(2) -0.0080(10) 0.0110(10) 0.0090(10) O2 0.0410(10) 0.0210(10) 0.0270(10) -0.0020(10) 0.0040(10) -0.0020(10) O3 0.041(2) 0.0260(10) 0.0270(10) -0.0020(10) -0.0100(10) 0.0050(10) O4 0.055(2) 0.0270(10) 0.0240(10) -0.0020(10) 0.0180(10) -0.0020(10) O5 0.050(2) 0.0240(10) 0.0290(10) 0.0030(10) 0.0180(10) 0.0080(10) O6 0.062(2) 0.0190(10) 0.031(2) 0.0070(10) 0.0170(10) 0.0040(10) O1w 0.0270(10) 0.039(2) 0.0330(10) 0.0040(10) 0.0020(10) -0.0060(10) C1 0.024(2) 0.0210(10) 0.0160(10) 0.0020(10) 0.0030(10) 0.0020(10) C2 0.025(2) 0.0190(10) 0.020(2) 0.0020(10) 0.0040(10) 0.0000(10) C3 0.022(2) 0.0200(10) 0.018(2) -0.0010(10) 0.0010(10) 0.0030(10) C4 0.028(2) 0.031(2) 0.019(2) 0.0010(10) 0.0090(10) 0.0010(10) C5 0.037(2) 0.023(2) 0.024(2) 0.0060(10) 0.010(2) -0.0030(10) C6 0.029(2) 0.0190(10) 0.024(2) 0.0030(10) 0.0060(10) 0.0020(10) C7 0.025(2) 0.028(2) 0.020(2) 0.0010(10) 0.0050(10) 0.0010(10) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag O1 Ag1 O1 . 2_656 76.90(10) yes O1 Ag1 O2 . 3_766 94.50(10) yes O1 Ag1 O2 . 4_566 127.60(10) yes O1 Ag1 O1w . . 82.70(10) yes O1 Ag1 O1w . 2_656 147.80(10) yes O1 Ag1 O2 2_656 3_766 127.60(10) yes O1 Ag1 O2 2_656 4_566 94.50(10) yes O1 Ag1 O1w 2_656 . 147.80(10) yes O1 Ag1 O1w 2_656 2_656 82.70(10) yes O2 Ag1 O2 3_766 4_566 127.90(10) yes O2 Ag1 O1w 3_766 . 78.30(10) yes O2 Ag1 O1w 3_766 2_656 78.50(10) yes O2 Ag1 O1w 4_566 . 78.50(10) yes O2 Ag1 O1w 4_566 2_656 78.30(10) yes O1w Ag1 O1w . 2_656 125.40(10) yes O2 Ag2 O2 . 2_655 106.70(10) yes O2 Ag2 O3 . 3_766 86.10(10) yes O2 Ag2 O3 . 4_565 167.20(10) yes O2 Ag2 O1w . . 100.60(10) yes O2 Ag2 O1w . 2_655 106.40(10) yes O2 Ag2 O3 2_655 3_766 167.20(10) yes O2 Ag2 O3 2_655 4_565 86.10(10) yes O2 Ag2 O1w 2_655 . 106.40(10) yes O2 Ag2 O1w 2_655 2_655 100.60(10) yes O3 Ag2 O3 3_766 4_565 81.20(10) yes O3 Ag2 O1w 3_766 . 69.80(10) yes O3 Ag2 O1w 3_766 2_655 75.80(10) yes O3 Ag2 O1w 4_565 . 75.80(10) yes O3 Ag2 O1w 4_565 2_655 69.80(10) yes O1w Ag2 O1w . 2_655 134.10(10) yes O5 Ag3 O5 . 2_754 164.50(10) yes O5 Ag3 O6 . 3_775 75.50(10) yes O5 Ag3 O6 . 4_675 116.00(10) yes O5 Ag3 O6 2_754 3_775 116.00(10) yes O5 Ag3 O6 2_754 4_675 75.50(10) yes O6 Ag3 O6 3_775 4_675 91.10(10) yes O3 Ag4 O3 1_554 2_755 78.90(10) yes O3 Ag4 O4 1_554 . 96.60(10) yes O3 Ag4 O4 1_554 2_754 93.30(10) yes O3 Ag4 O4 2_755 . 93.30(10) yes O3 Ag4 O4 2_755 2_754 96.60(10) yes O4 Ag4 O4 . 2_754 167.20(10) yes O1 S1 O3 . . 112.0(2) no O1 S1 O2 . . 112.6(2) no O3 S1 O2 . . 112.4(2) no O1 S1 C3 . . 108.0(2) no O3 S1 C3 . . 105.4(2) no O2 S1 C3 . . 106.0(2) no S1 O1 Ag1 . . 109.8(2) no S1 O2 Ag2 . . 119.3(2) no S1 O3 Ag2 . 3_766 129.6(2) no S1 O3 Ag4 . 1_556 126.2(2) no Ag2 O3 Ag4 3_766 1_556 100.00(10) no Ag1 O1w Ag2 . . 107.60(10) no C7 O4 Ag4 . . 128.2(2) no C7 O5 Ag3 . . 120.3(2) no C6 O6 Ag3 . 3_775 125.2(2) no C2 C1 C6 . . 118.4(3) no C2 C1 C7 . . 118.9(3) no C6 C1 C7 . . 122.6(3) no C3 C2 C1 . . 120.8(3) no C2 C3 C4 . . 120.5(3) no C2 C3 S1 . . 118.3(2) no C4 C3 S1 . . 121.1(2) no C5 C4 C3 . . 119.5(3) no C4 C5 C6 . . 120.0(3) no O6 C6 C5 . . 118.2(3) no O6 C6 C1 . . 121.0(3) no C5 C6 C1 . . 120.7(3) no O4 C7 O5 . . 125.3(3) no O4 C7 C1 . . 116.4(3) no O5 C7 C1 . . 118.2(3) no C6 O6 H6o . . 105(4) no Ag3 O6 H6o 3_775 . 106(4) no Ag1 O1w H1w1 . . 119(4) no Ag2 O1w H1w1 . . 116(4) no Ag1 O1w H1w2 . . 118(5) no Ag2 O1w H1w2 . . 79(5) no H1w1 O1w H1w2 . . 109.8(18) no C3 C2 H2 . . 119.6 no C1 C2 H2 . . 119.6 no C5 C4 H4 . . 120.3 no C3 C4 H4 . . 120.3 no C4 C5 H5 . . 120.0 no C6 C5 H5 . . 120.0 no loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Ag1 O1 . 2.537(3) yes Ag1 O1 2_656 2.537(3) yes Ag1 O2 3_766 2.612(3) yes Ag1 O2 4_566 2.612(3) yes Ag1 O1w . 2.455(3) yes Ag1 O1w 2_656 2.455(3) yes Ag2 O2 . 2.404(3) yes Ag2 O2 2_655 2.404(3) yes Ag2 O3 3_766 2.512(3) yes Ag2 O3 4_565 2.512(3) yes Ag2 O1w . 2.657(3) yes Ag2 O1w 2_655 2.657(3) yes Ag3 O5 . 2.317(2) yes Ag3 O5 2_754 2.317(2) yes Ag3 O6 3_775 2.536(3) yes Ag3 O6 4_675 2.536(3) yes Ag4 O3 1_554 2.573(3) yes Ag4 O3 2_755 2.573(3) yes Ag4 O4 . 2.139(3) yes Ag4 O4 2_754 2.139(3) yes Ag3 Ag4 . 2.7778(8) no S1 O1 . 1.453(3) no S1 O3 . 1.459(3) no S1 O2 . 1.459(3) no S1 C3 . 1.767(3) no O4 C7 . 1.246(4) no O5 C7 . 1.270(4) no O6 C6 . 1.360(4) no C1 C2 . 1.396(4) no C1 C6 . 1.400(4) no C1 C7 . 1.497(4) no C2 C3 . 1.377(4) no C3 C4 . 1.401(4) no C4 C5 . 1.380(5) no C5 C6 . 1.397(5) no O6 H6o . 0.850(10) no O1w H1w1 . 0.850(10) no O1w H1w2 . 0.850(10) no C2 H2 . 0.93 no C4 H4 . 0.93 no C5 H5 . 0.93 no loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag O6 H6o O5 . 0.850(10) 1.81(3) 2.589(4) 151(6) yes O1w H1w1 O1 3_666 0.850(10) 1.97(2) 2.803(4) 165(5) yes O1w H1w2 O3 3_766 0.850(10) 2.33(5) 2.959(4) 131(5) yes O1w H1w2 O4 4_566 0.850(10) 2.44(5) 3.114(4) 137(6) yes loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag O5 Ag3 Ag4 O4 2_754 . -179.20(10) no O5 Ag3 Ag4 O4 . . 0.80(10) no O6 Ag3 Ag4 O4 4_675 . 119.90(10) no O6 Ag3 Ag4 O4 3_775 . -60.10(10) no O5 Ag3 Ag4 O4 2_754 2_754 0.80(10) no O5 Ag3 Ag4 O4 . 2_754 -179.20(10) no O6 Ag3 Ag4 O4 4_675 2_754 -60.10(10) no O6 Ag3 Ag4 O4 3_775 2_754 119.90(10) no O5 Ag3 Ag4 O3 2_754 1_554 -86.60(10) no O5 Ag3 Ag4 O3 . 1_554 93.40(10) no O6 Ag3 Ag4 O3 4_675 1_554 -147.50(10) no O6 Ag3 Ag4 O3 3_775 1_554 32.50(10) no O5 Ag3 Ag4 O3 2_754 2_755 93.40(10) no O5 Ag3 Ag4 O3 . 2_755 -86.60(10) no O6 Ag3 Ag4 O3 4_675 2_755 32.50(10) no O6 Ag3 Ag4 O3 3_775 2_755 -147.50(10) no O3 S1 O1 Ag1 . . -46.5(2) no O2 S1 O1 Ag1 . . 81.4(2) no C3 S1 O1 Ag1 . . -162.00(10) no O1w Ag1 O1 S1 . . -105.2(2) no O1w Ag1 O1 S1 2_656 . 47.8(3) no O1 Ag1 O1 S1 2_656 . 100.0(2) no O2 Ag1 O1 S1 4_566 . -174.50(10) no O2 Ag1 O1 S1 3_766 . -27.6(2) no O1 S1 O2 Ag2 . . 6.8(2) no O3 S1 O2 Ag2 . . 134.4(2) no C3 S1 O2 Ag2 . . -111.0(2) no O2 Ag2 O2 S1 2_655 . 63.60(10) no O3 Ag2 O2 S1 4_565 . -119.1(4) no O3 Ag2 O2 S1 3_766 . -115.8(2) no O1w Ag2 O2 S1 2_655 . 170.3(2) no O1w Ag2 O2 S1 . . -47.3(2) no O1 S1 O3 Ag2 . 3_766 93.7(2) no O2 S1 O3 Ag2 . 3_766 -34.2(2) no C3 S1 O3 Ag2 . 3_766 -149.2(2) no O1 S1 O3 Ag4 . 1_556 -114.0(2) no O2 S1 O3 Ag4 . 1_556 118.1(2) no C3 S1 O3 Ag4 . 1_556 3.1(2) no O4 Ag4 O4 C7 2_754 . -4.6(3) no O3 Ag4 O4 C7 1_554 . -144.9(3) no O3 Ag4 O4 C7 2_755 . 136.0(3) no Ag3 Ag4 O4 C7 . . -4.6(3) no O5 Ag3 O5 C7 2_754 . 2.1(3) no O6 Ag3 O5 C7 4_675 . -133.9(3) no O6 Ag3 O5 C7 3_775 . 142.0(3) no Ag4 Ag3 O5 C7 . . 2.1(3) no O1w Ag1 O1w Ag2 2_656 . -128.60(10) no O1 Ag1 O1w Ag2 2_656 . 84.9(2) no O1 Ag1 O1w Ag2 . . 34.10(10) no O2 Ag1 O1w Ag2 4_566 . 164.90(10) no O2 Ag1 O1w Ag2 3_766 . -62.10(10) no O2 Ag2 O1w Ag1 . . 5.60(10) no O2 Ag2 O1w Ag1 2_655 . -105.50(10) no O3 Ag2 O1w Ag1 4_565 . 173.10(10) no O3 Ag2 O1w Ag1 3_766 . 87.40(10) no O1w Ag2 O1w Ag1 2_655 . 131.10(10) no C6 C1 C2 C3 . . -0.1(5) no C7 C1 C2 C3 . . 179.1(3) no C1 C2 C3 C4 . . 0.6(5) no C1 C2 C3 S1 . . -175.7(3) no O1 S1 C3 C2 . . -127.0(3) no O3 S1 C3 C2 . . 113.2(3) no O2 S1 C3 C2 . . -6.2(3) no O1 S1 C3 C4 . . 56.7(3) no O3 S1 C3 C4 . . -63.1(3) no O2 S1 C3 C4 . . 177.6(3) no C2 C3 C4 C5 . . -0.5(5) no S1 C3 C4 C5 . . 175.6(3) no C3 C4 C5 C6 . . 0.0(5) no Ag3 O6 C6 C5 3_775 . -50.9(4) no Ag3 O6 C6 C1 3_775 . 128.6(3) no C4 C5 C6 O6 . . -180.0(3) no C4 C5 C6 C1 . . 0.5(6) no C2 C1 C6 O6 . . -179.9(3) no C7 C1 C6 O6 . . 0.9(5) no C2 C1 C6 C5 . . -0.4(5) no C7 C1 C6 C5 . . -179.6(3) no Ag4 O4 C7 O5 . . 8.0(6) no Ag4 O4 C7 C1 . . -171.3(2) no Ag3 O5 C7 O4 . . -6.3(5) no Ag3 O5 C7 C1 . . 173.0(2) no C2 C1 C7 O4 . . 1.9(5) no C6 C1 C7 O4 . . -178.9(3) no C2 C1 C7 O5 . . -177.4(3) no C6 C1 C7 O5 . . 1.8(5) no